SCHEMBL3603130

SCHEMBL3603130

CCCOc1cccc2oc(C(=O)O)c(C)c12

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.70
NMT2 O60551 9/20 0.56
NMT1 P30419 9/20 0.56
ADRB2 P07550 4/20 0.55
ADRB1 P08588 3/20 0.55
ADRB3 P13945 3/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
BCL2 P10415 1/20 0.48
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
BAD Q92934 1/20 0.48
CYP2A6 P11509 1/20 0.48
MAPT P10636 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3612478 0.89 EDNRA (0.73) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL3609719 0.86 NMT2 (0.73) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL6869191 0.86 EDNRA (0.67) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL3618219 0.85 EDNRA (0.65) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL3607335 0.83 EDNRA (0.65) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL3617976 0.81 EDNRA (0.68) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL3616780 0.81 EDNRA (1.00) EDNRANPC1RAB9AKDM4EHSD17B10
SCHEMBL6863935 0.80 NMT2 (0.77) EDNRANMT2NMT1ADRB2ADRB1
Hydrochloric Acid SCHEMBL6872183 0.80 NMT2 (0.77) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL3617915 0.80 EDNRA (0.65) EDNRANMT2NMT1ADRB2ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC EDNRA 3365/4885NMT2 242/4885NMT1 910/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC EDNRA 3365/4885NMT2 242/4885NMT1 910/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.